SCHEMBL5536059

SCHEMBL5536059

[O]c1ccccc1-n1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.61
CYP3A4 P08684 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2D6 P10635 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
PMP22 Q01453 1/20 0.56
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 2/20 0.46
CYP11B1 P15538 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31408101 0.85 IDO1 (0.73) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL16382293 0.85 IDO1 (0.73) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL1927667 0.80 IDO1 (0.61) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL28287055 0.79 IDO1 (0.66) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL8469809 0.79 IDO1 (0.66) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL28484926 0.78 IDO1 (0.63) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL28493083 0.78 IDO1 (0.63) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL3228422 0.77 IDO1 (0.58) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL16057276 0.77 CYP3A4 (0.46) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL57158 0.76 IDO1 (1.00) IDO1CYP3A4MEN1KMT2ACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 IDO1 3181/4885CYP3A4 1683/4885MEN1 3295/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.